Glycoside
...
GD072196

Name:
None

Formula:
C12H20O11N2S

Smiles:
COCc1oncc1C(=O)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O

Aglycone:
COCc1oncc1C(N)=O.COS(O)(O)O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 7 FractionCSP3: 0.67
AlogP: -1.49 Num_rotatable_bonds: 7
MolWt: 400.36 Num_heavy_atoms: 26
TPSA: 204.2 NumAromaticRings: 1

Unique Aglycone
AD12993
Formula: CH6O4S

Smiles:
COS(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: 0.77 Num_rotatable_bonds: 1
MolWt: 114.12 Num_heavy_atoms: 6
TPSA: 69.92 NumAromaticRings: 0
AD26503
Formula: C6H8O3N2

Smiles:
COCc1oncc1C(N)=O
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.33
AlogP: -0.08 Num_rotatable_bonds: 3
MolWt: 156.14 Num_heavy_atoms: 11
TPSA: 78.35 NumAromaticRings: 1

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O